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4-tert-butyl-2-iodoaniline hydrochloride

4-tert-butyl-2-iodoaniline hydrochloride

CAS: 1799421-08-1

Formula: C10H15ClIN

SMILES: Cl.CC(C)(C)C1=CC(I)=C(N)C=C1

IUPAC: 4-tert-butyl-2-iodoaniline hydrochloride

InChI: InChI=1S/C10H14IN.ClH/c1-10(2,3)7-4-5-9(12)8(11)6-7;/h4-6H,12H2,1-3H3;1H

Composition: C (38.55%), H (4.85%), Cl (11.38%), I (40.73%), N (4.50%)

Molar Mass: 311.59

Atom Count: 28

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 310.99377
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey FIXCAAFRTIWKJX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.79
Topological Polar Surface Area 26.02
Polarizability 23.8
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1799421-08-1 $207.00-$776.25$207.00$385.25$776.25
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